Correlation energy between two electrons

AI Thread Summary
The discussion focuses on calculating the expectation value of the correlation energy between two repelling electrons using a complex 6-dimensional integral. The user struggles with solving the integral, even after attempting to use spherical coordinates and the law of cosines to simplify the denominator. They express difficulty in relating the differential elements in their integral to the cosine terms needed for further simplification. Suggestions include expanding the denominator using the law of cosines, but the user finds the resulting integral overly complicated. The conversation highlights the challenges of integrating in multi-dimensional spaces, particularly in computational physics contexts.
eonsv
Messages
2
Reaction score
0
Hello. I need to find the expectational value of the correlation energy between two electrons which repel each other via the classical Coulomb interaction. This is given by the 6-dimensional integral:
\left\langle\frac{1}{|\vec{r}_1 - \vec{r}_2|}\right\rangle =\int_{-\infty}^{\infty}d\vec{r}_1d\vec{r}_2e^{-2\alpha(r_1 + r_2)}\frac{1}{|\vec{r_1}-\vec{r_2}|}
r_i = |\vec{r}_i|, \quad \vec{r}_i = x_i \hat{i} + y_i\hat{j} + z_i\hat{k}, \quad i = 1,2
I know that the answer is \frac{5\pi^2}{16^2}, however I can't seem to find a method for solving this type of integrals in any of my books. I have tried to use spherical coordinates, which seemed logical due to the answer having a factor of \pi^2, but with no luck. And it is a couple of years since I've been solving integrals like this one, so a nudge in the right direction is greatly appriciated.

(It is a bonus question in one of the projects in the course: computational physics)
 
Physics news on Phys.org
Hello.
Try using the law of cosines to expand the denominator and do one integral at a time.
 
Thank you for your reply.
This is one of the things which I've been trying to do. However I end up with a result which is a very complicated integral. Expanding the difference of the length of the two vectors gives:
|\vec{r}_1 - \vec{r}_2| = \sqrt{r_1^2 + r_2^2 - 2r_1 r_2 \cos\beta} Where \cos\beta = \cos\theta_1\cos\theta_2 + \sin\theta_1\sin\theta_2 \cos(\phi_1 - \phi_2)
I then need to expand d\vec{r}_1 and d\vec{r}_2, which can be done in spherical coordinates as: d\vec{r}_i = r_i^2 \sin\theta_i dr_id\theta_id\phi_i, i = 1,2 or d\vec{r}_1d\vec{r}_2 = r_1^2r_2^2dr_1dr_2d\cos\theta_1d\cos\theta_2d\phi_1d\phi_2
This is were I end up with the integral
\left\langle\frac{1}{|\vec{r}_1 - \vec{r}_2|}\right\rangle = \int_{-\infty}^{\infty}e^{-2\alpha(r_1 + r_2)} \frac{r_1^2r_2^2dr_1dr_2d\cos\theta_1d\cos\theta_2d\phi_1d\phi_2}{\sqrt{r_1^2 + r_2^2 - 2r_1 r_2\cos\beta}}
I can't seem to find a usefull relation between d\cos\theta_1d\cos\theta_2d\phi_1d\phi_2 and d\beta or \cos\beta. Any ideas on how I can proceed?
Thanks in advance.
 
Thread 'Help with Time-Independent Perturbation Theory "Good" States Proof'
(Disclaimer: this is not a HW question. I am self-studying, and this felt like the type of question I've seen in this forum. If there is somewhere better for me to share this doubt, please let me know and I'll transfer it right away.) I am currently reviewing Chapter 7 of Introduction to QM by Griffiths. I have been stuck for an hour or so trying to understand the last paragraph of this proof (pls check the attached file). It claims that we can express Ψ_{γ}(0) as a linear combination of...
Back
Top